(Z)-4-imino-N-methylpent-2-en-1-amine

C6H12N2 — CID 145282389

IUPAC(Z)-4-imino-N-methylpent-2-en-1-amine
SMILES[H]/N=C(C)/C=C\CNC
InChIInChI=1S/C6H12N2/c1-6(7)4-3-5-8-2/h3-4,7-8H,5H2,1-2H3/b4-3-,7-6+
InChIKeyKWYIHVUSSVCXSY-WWVFNRLHSA-N
MW112.18 g/mol
LogP0.80
Rot. Bonds3

About (Z)-4-imino-N-methylpent-2-en-1-amine

(Z)-4-imino-N-methylpent-2-en-1-amine (PubChem CID 145282389) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-4-imino-N-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-imino-N-methylpent-2-en-1-amine
PubChem CID145282389
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-4-imino-N-methylpent-2-en-1-amine
SMILES[H]/N=C(C)/C=C\CNC
InChIInChI=1S/C6H12N2/c1-6(7)4-3-5-8-2/h3-4,7-8H,5H2,1-2H3/b4-3-,7-6+
InChIKeyKWYIHVUSSVCXSY-WWVFNRLHSA-N
XLogP0.80
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-iminopent-2-en-1-amine
CID 142289238
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(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z)-8-imino-3-methylnon-6-en-1-ol
CID 134553932
(Z)-4-(methylamino)but-2-enoic acid
CID 148708866
4-(methylamino)but-2-enoyl chloride
CID 123775248
(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
CID 146788075
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
(E)-4-(methylamino)but-2-en-1-ol
CID 11083838
(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
CID 143971221
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide
CID 144726995

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-N-methylpent-2-en-1-amine?
The IUPAC name of (Z)-4-imino-N-methylpent-2-en-1-amine (CID 145282389) is (Z)-4-imino-N-methylpent-2-en-1-amine.
What is the SMILES notation for (Z)-4-imino-N-methylpent-2-en-1-amine?
The canonical SMILES for (Z)-4-imino-N-methylpent-2-en-1-amine is [H]/N=C(C)/C=C\CNC.
What is the InChIKey of (Z)-4-imino-N-methylpent-2-en-1-amine?
The InChIKey is KWYIHVUSSVCXSY-WWVFNRLHSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(7)4-3-5-8-2/h3-4,7-8H,5H2,1-2H3/b4-3-,7-6+.
What are the key properties of (Z)-4-imino-N-methylpent-2-en-1-amine?
(Z)-4-imino-N-methylpent-2-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-N-methylpent-2-en-1-amine is sourced from PubChem (CID 145282389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).